CID 3014644

2-methoxyethanethiol

Structural Information

Molecular Formula
C3H8OS
SMILES
COCCS
InChI
InChI=1S/C3H8OS/c1-4-2-3-5/h5H,2-3H2,1H3
InChIKey
VHXDADVHQVXSKC-UHFFFAOYSA-N
Compound name
2-methoxyethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1541
Patents

92.02959 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.036866 114.0
[M+Na]+ 115.01881 122.5
[M-H]- 91.022314 115.1
[M+NH4]+ 110.06341 138.3
[M+K]+ 130.99275 122.6
[M+H-H2O]+ 75.026850 109.9
[M+HCOO]- 137.02779 133.5
[M+CH3COO]- 151.04344 164.2
[M+Na-2H]- 113.00426 119.0
[M]+ 92.029041 117.6
[M]- 92.030139 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe